Quinuclidinol methyl bromide diphenyl acetate

1-azoniabicyclo[2.2.2]octan-1-ylmethyl 2,2-diphenylacetate bromide

CAS: 63716-49-4

Molecular Formula	`C22H26BrNO2`
Molecular Weight	416.4 g/mol
Topological Polar Surface Area	26.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	415.1147
Heavy Atoms	26
Complexity	411.0

Chemical Identifiers

CAS Number	63716-49-4
SMILES	`C1C[N+]2(CCC1CC2)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]`
InChIKey	`JRVYRBCZMGGZPZ-UHFFFAOYSA-M`

📖 Product Overview

Quinuclidinol methyl bromide diphenyl acetate (CAS: 63716-49-4) is a chemical compound with molecular formula C22H26BrNO2 and molecular weight 416.4 g/mol. Its IUPAC systematic name is 1-azoniabicyclo[2.2.2]octan-1-ylmethyl 2,2-diphenylacetate bromide. Topological Polar Surface Area 26.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 415.1147 Heavy Atoms 26 Complexity 411.0 InChI Key: JRVYRBCZMGGZPZ-UHFFFAOYSA-M. SMILES: C1C[N+]2(CCC1CC2)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.[Br-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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